| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:57 UTC |
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| Update Date | 2025-03-25 00:55:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215085 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24O6 |
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| Molecular Mass | 324.1573 |
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| SMILES | CC1C(Oc2ccc(CCC(=O)O)cc2)OC(CO)C(O)C1C |
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| InChI Key | OPZXOZDVKSNVJH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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